Molecule

ID:35788

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₆N₂O₃
Molecular Mass
344.36334
Exact Mass
344.11609238
Charge
0
InChI
InChI=1S/C21H16N2O3/c24-21(25)16-6-11-20-19(12-16)22-14-23(20)17-7-9-18(10-8-17)26-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,25)
InChIKey
SKWAXTSMPNUADM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)ncn2c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
n1(cnc2c1ccc(C(=O)O)c2)c1ccc(OCc2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
2.319772
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1778944
LogD (pH = 7.4)
0.7214199
Log P
2.441994
Molar Refractivity
108.2941
Polarizability
39.37732
Polar Surface Area
64.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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